SCHEMBL8562224

SCHEMBL8562224

O=C(Cl)C1CCc2cc(Cl)c(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
FABP4 P15090 9/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HSD17B1 P14061 3/20 0.33
MAP4K4 O95819 2/20 0.33
PDE5A O76074 1/20 0.33
CYP19A1 P11511 1/20 0.33
FABP3 P05413 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8834341 0.85 FABP4 (0.45) HTR2AHTR2CHTR2BFABP4MAP4K4
SCHEMBL8834452 0.85 FABP4 (0.45) HTR2AHTR2CHTR2BFABP4MAP4K4
SCHEMBL11675812 0.82 FABP4 (0.35) FABP4
SCHEMBL11733508 0.82 FABP4 (0.35) FABP4
SCHEMBL28297096 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BFABP4HSD17B1
SCHEMBL10948373 0.79 FABP4 (0.38) FABP4
SCHEMBL8564785 0.77 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL11190229 0.74 FABP4 (0.41) FABP4MAP4K4PDE5AFABP3
SCHEMBL9251756 0.72 HTR2A (0.43) HTR2AHTR2CHTR2BCHRNB2CHRNA4
SCHEMBL30686717 0.72 HTR2A (0.43) HTR2AHTR2CHTR2BCHRNB2CHRNA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed